![ethyl 4-{[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-3-oxobutanoate structure](/static/products/877/877646-29-2.png)
ethyl 4-{[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-3-oxobutanoate
TL;DR: ethyl 4-{[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-3-oxobutanoate (CAS 877646-29-2) is a chemical compound with molecular formula C20H20ClN3O3S and molecular weight 417.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-3-oxobutanoate
Also Known As: ethyl 4-{[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-3-oxobutanoate, ethyl 4-((3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-3-oxobutanoate, ethyl 4-[3-(4-chlorophenyl)-2,5-dimethyl(8-hydropyrazolo[1,5-a]pyrimidin-7-ylt hio)]-3-oxobutanoate, ethyl 4-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-3-oxobutanoate
| Molecular Formula | C20H20ClN3O3S |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | 4.28094 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.0914 |
| Heavy Atoms | 28 |
| Complexity | 1031.347 |
Chemical Identifiers
| CAS Number | 877646-29-2 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=CC(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)Cl)C |
Product Overview
ethyl 4-{[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-3-oxobutanoate (CAS 877646-29-2), with molecular formula C20H20ClN3O3S and molecular weight 417.09 g/mol. IUPAC: ethyl 4-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-3-oxobutanoate.
Chemical Property Profile of ethyl 4-{[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-3-oxobutanoate
Property Insights of ethyl 4-{[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-3-oxobutanoate
The XLogP value of 4.28094 indicates that ethyl 4-{[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-3-oxobutanoate. Following Lipinski's Rule of Five, ethyl 4-{[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-3-oxobutanoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-{[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-3-oxobutanoate?
The CAS number of ethyl 4-{[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-3-oxobutanoate is 877646-29-2.
What is the molecular formula of ethyl 4-{[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-3-oxobutanoate?
The molecular formula of ethyl 4-{[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-3-oxobutanoate is C20H20ClN3O3S.
What is the molecular weight of ethyl 4-{[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-3-oxobutanoate?
The molecular weight of ethyl 4-{[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-3-oxobutanoate is 417.09 g/mol.
Where can I buy ethyl 4-{[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-3-oxobutanoate?
You can request a quote for ethyl 4-{[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-{[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.